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Solid-state NMR
Solid-state NMR (ssNMR) spectroscopy is a technique for characterizing atomic level structure in solid materials e.g. powders, single crystals and amorphous samples and tissues using nuclear magnetic resonance (NMR) spectroscopy. The anisotropic part of many spin interactions are present in solid-state NMR, unlike in solution-state NMR where rapid tumbling motion averages out many of the spin interactions. As a result, solid-state NMR spectra are characterised by larger linewidths than in solution state NMR, which can be utilized to give quantitative information on the molecular structure, conformation and dynamics of the material. Solid-state NMR is often combined with magic angle spinning to remove anisotropic interactions and improve the resolution as well as the sensitivity of the technique. Nuclear spin interactions The resonance frequency of a nuclear spin depends on the strength of the magnetic field at the nucleus, which can be modified by isotropic (e.g. chemical shift, is ...
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900 Magnet New
9 (nine) is the natural number following and preceding . Evolution of the Arabic digit In the beginning, various Indians wrote a digit 9 similar in shape to the modern closing question mark without the bottom dot. The Kshatrapa, Andhra and Gupta started curving the bottom vertical line coming up with a -look-alike. The Nagari continued the bottom stroke to make a circle and enclose the 3-look-alike, in much the same way that the sign @ encircles a lowercase ''a''. As time went on, the enclosing circle became bigger and its line continued beyond the circle downwards, as the 3-look-alike became smaller. Soon, all that was left of the 3-look-alike was a squiggle. The Arabs simply connected that squiggle to the downward stroke at the middle and subsequent European change was purely cosmetic. While the shape of the glyph for the digit 9 has an ascender in most modern typefaces, in typefaces with text figures the character usually has a descender, as, for example, in . The mod ...
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Dipolar Coupling
In physics, a dipole () is an electromagnetic phenomenon which occurs in two ways: *An electric dipole deals with the separation of the positive and negative electric charges found in any electromagnetic system. A simple example of this system is a pair of charges of equal magnitude but opposite sign separated by some typically small distance. (A permanent electric dipole is called an electret.) *A magnetic dipole is the closed circulation of an electric current system. A simple example is a single loop of wire with constant current through it. A bar magnet is an example of a magnet with a permanent magnetic dipole moment. Dipoles, whether electric or magnetic, can be characterized by their dipole moment, a vector quantity. For the simple electric dipole, the electric dipole moment points from the negative charge towards the positive charge, and has a magnitude equal to the strength of each charge times the separation between the charges. (To be precise: for the definition of ...
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Chemical Shift Anisotropy
In nuclear magnetic resonance (NMR) spectroscopy, the chemical shift is the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule. Chemical shifts are also used to describe signals in other forms of spectroscopy such as photoemission spectroscopy. Some atomic nuclei possess a magnetic moment (nuclear spin), which gives rise to different energy levels and resonance frequencies in a magnetic field. The total magnetic field experienced by a nucleus includes local magnetic fields induced by currents of electrons in the molecular orbitals (note that electrons have a magnetic moment themselves). The electron distribution of the same type of nucleus (e.g. ) usually varies according to the local geometry (binding partners, bond lengths, angles between bonds, and so on), and with it the local magnetic field at each nucleus. This is reflected in the spin energy leve ...
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Dipolar Coupling
In physics, a dipole () is an electromagnetic phenomenon which occurs in two ways: *An electric dipole deals with the separation of the positive and negative electric charges found in any electromagnetic system. A simple example of this system is a pair of charges of equal magnitude but opposite sign separated by some typically small distance. (A permanent electric dipole is called an electret.) *A magnetic dipole is the closed circulation of an electric current system. A simple example is a single loop of wire with constant current through it. A bar magnet is an example of a magnet with a permanent magnetic dipole moment. Dipoles, whether electric or magnetic, can be characterized by their dipole moment, a vector quantity. For the simple electric dipole, the electric dipole moment points from the negative charge towards the positive charge, and has a magnitude equal to the strength of each charge times the separation between the charges. (To be precise: for the definition of ...
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Glycine 13C 9
Glycine (symbol Gly or G; ) is an amino acid that has a single hydrogen atom as its side chain. It is the simplest stable amino acid (carbamic acid is unstable), with the chemical formula NH2‐ CH2‐ COOH. Glycine is one of the proteinogenic amino acids. It is encoded by all the codons starting with GG (GGU, GGC, GGA, GGG). Glycine is integral to the formation of alpha-helices in secondary protein structure due to its compact form. For the same reason, it is the most abundant amino acid in collagen triple-helices. Glycine is also an inhibitory neurotransmitter – interference with its release within the spinal cord (such as during a ''Clostridium tetani'' infection) can cause spastic paralysis due to uninhibited muscle contraction. It is the only achiral proteinogenic amino acid. It can fit into hydrophilic or hydrophobic environments, due to its minimal side chain of only one hydrogen atom. History and etymology Glycine was discovered in 1820 by the French chemist He ...
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Simulation Of A Dipolar Coupling Powder Pattern In A Heteronuclear Two Spin System
A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of Conceptual model, models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the computer simulation, simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games. Simulation is also used with scientific modelling of natural systems or human systems to gain insight into their functioning, as in economics. Simulation can be used to show the eventual real effects of alternative conditions and courses of action. Simulation is also used when the real system cannot be engaged, because it may not be accessible, or it may be dangerous or unacceptable to engage, or it is being designed bu ...
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Powder Pattern
A powder is a dry, bulk solid composed of many very fine particles that may flow freely when shaken or tilted. Powders are a special sub-class of granular materials, although the terms ''powder'' and ''granular'' are sometimes used to distinguish separate classes of material. In particular, ''powders'' refer to those granular materials that have the finer grain sizes, and that therefore have a greater tendency to form clumps when flowing. ''Granulars'' refers to the coarser granular materials that do not tend to form clumps except when wet. Types Many manufactured goods come in powder form, such as flour, sugar, ground coffee, powdered milk, copy machine toner, gunpowder, cosmetic powders, and some pharmaceuticals. In nature, dust, fine sand and snow, volcanic ash, and the top layer of the lunar regolith are also examples. Because of their importance to industry, medicine and earth science, powders have been studied in great detail by chemical engineers, mechanical ...
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Knight Shift
The Knight shift is a shift in the nuclear magnetic resonance (NMR) frequency of a paramagnetic substance first published in 1949 by the UC Berkeley physicist Walter D. Knight. For an ensemble of ''N'' spins in a magnetic induction field \vec, the nuclear Hamiltonian for the Knight shift is expressed in Cartesian form by: =-\sum\limits_^, where for the ''i''th spin _ is the gyromagnetic ratio, is a vector of the Cartesian nuclear angular momentum operators, the =\left( \begin & & \\ & & \\ & & \\ \end \right) matrix is a second-rank tensor similar to the chemical shift shielding tensor. The Knight shift refers to the relative shift ''K'' in NMR frequency for atoms in a metal (e.g. sodium) compared with the same atoms in a nonmetallic environment (e.g. sodium chloride). The observed shift reflects the local magnetic field produced at the sodium nucleus by the magnetization of the conduction electrons. The average local field in sodium augments the applied ...
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Chemical Bonds
A chemical bond is a lasting attraction between atoms or ions that enables the formation of molecules and crystals. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds, or through the sharing of electrons as in covalent bonds. The strength of chemical bonds varies considerably; there are "strong bonds" or "primary bonds" such as covalent, ionic and metallic bonds, and "weak bonds" or "secondary bonds" such as dipole–dipole interactions, the London dispersion force and hydrogen bonding. Strong chemical bonding arises from the sharing or transfer of electrons between the participating atoms. Since opposite electric charges attract, the negatively charged electrons surrounding the nucleus and the positively charged protons within a nucleus attract each other. An electron positioned between two nuclei will be attracted to both of them, and the nuclei will be attracted toward electrons in this position. This attraction const ...
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Legendre Polynomials
In physical science and mathematics, Legendre polynomials (named after Adrien-Marie Legendre, who discovered them in 1782) are a system of complete and orthogonal polynomials, with a vast number of mathematical properties, and numerous applications. They can be defined in many ways, and the various definitions highlight different aspects as well as suggest generalizations and connections to different mathematical structures and physical and numerical applications. Closely related to the Legendre polynomials are associated Legendre polynomials, Legendre functions, Legendre functions of the second kind, and associated Legendre functions. Definition by construction as an orthogonal system In this approach, the polynomials are defined as an orthogonal system with respect to the weight function w(x) = 1 over the interval 1,1/math>. That is, P_n(x) is a polynomial of degree n, such that \int_^1 P_m(x) P_n(x) \,dx = 0 \quad \text n \ne m. With the additional standardization co ...
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Zeeman Effect
The Zeeman effect (; ) is the effect of splitting of a spectral line into several components in the presence of a static magnetic field. It is named after the Dutch physicist Pieter Zeeman, who discovered it in 1896 and received a Nobel prize for this discovery. It is analogous to the Stark effect, the splitting of a spectral line into several components in the presence of an electric field. Also similar to the Stark effect, transitions between different components have, in general, different intensities, with some being entirely forbidden (in the dipole approximation), as governed by the selection rules. Since the distance between the Zeeman sub-levels is a function of magnetic field strength, this effect can be used to measure magnetic field strength, e.g. that of the Sun and other stars or in laboratory plasmas. The Zeeman effect is very important in applications such as nuclear magnetic resonance spectroscopy, electron spin resonance spectroscopy, magnetic resonance ...
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Magic Angle
The magic angle is a precisely defined angle, the value of which is approximately 54.7356°. The magic angle is a root of a second-order Legendre polynomial, , and so any interaction which depends on this second-order Legendre polynomial vanishes at the magic angle. This property makes the magic angle of particular importance in magic angle spinning solid-state NMR spectroscopy. In magnetic resonance imaging, structures with ordered collagen, such as tendons and ligaments, oriented at the magic angle may appear hyperintense in some sequences; this is called the magic angle artifact or effect. Mathematical definition The magic angle ''θ''m is : \theta_\mathrm = \arccos \frac = \arctan \sqrt \approx 0.955\,32\ \text \approx 54.7^\circ \! , where arccos and arctan are the inverse cosine and tangent functions respectively. ''θ''m is the angle between the space diagonal of a cube and any of its three connecting edges, see image. Another representation of the magic angle is half o ...
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